| CAS Number | 114302-73-7 |
| Catalog Number | AG01B3E8 |
| Chemical Name | 4-(Propan-2-yl)phenyl chloroformate |
| IUPAC Name | (4-propan-2-ylphenyl) carbonochloridate |
| InChI | InChI=1S/C10H11ClO2/c1-7(2)8-3-5-9(6-4-8)13-10(11)12/h3-7H,1-2H3 |
| InChI Key | XYXONCCUDWNAHA-UHFFFAOYSA-N |
| MDL Number | MFCD24141139 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.6461 |
| SMILES | CC(C1=CC=C(OC(Cl)=O)C=C1)C |
| Synonyms | 4-(propan-2-yl)phenyl chloroformate,
114302-73-7,
Carbonochloridic acid, 4-(1-methylethyl)phenyl ester,
SCHEMBL7058967,
ZINC38363570,
AKOS020225776,
(4-propan-2-ylphenyl) Chloroformate,
CID11206418,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.646g/mol |
| Monoisotopic Mass | 198.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number